5-[(7-chloroindol-1-yl)methyl]-1,3-thiazole

C12H9ClN2S — CID 103475549

IUPAC5-[(7-chloroindol-1-yl)methyl]-1,3-thiazole
SMILESClc1cccc2ccn(Cc3cncs3)c12
InChIInChI=1S/C12H9ClN2S/c13-11-3-1-2-9-4-5-15(12(9)11)7-10-6-14-8-16-10/h1-6,8H,7H2
InChIKeyWHJLETFEQLVWFG-UHFFFAOYSA-N
MW248.74 g/mol
LogP3.80
Rot. Bonds2

About 5-[(7-chloroindol-1-yl)methyl]-1,3-thiazole

5-[(7-chloroindol-1-yl)methyl]-1,3-thiazole (PubChem CID 103475549) has the molecular formula C12H9ClN2S and a molecular weight of 248.74 g/mol. Its IUPAC name is 5-[(7-chloroindol-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(7-chloroindol-1-yl)methyl]-1,3-thiazole
PubChem CID103475549
Molecular FormulaC12H9ClN2S
Molecular Weight248.74 g/mol
Exact Mass248.02
IUPAC Name5-[(7-chloroindol-1-yl)methyl]-1,3-thiazole
SMILESClc1cccc2ccn(Cc3cncs3)c12
InChIInChI=1S/C12H9ClN2S/c13-11-3-1-2-9-4-5-15(12(9)11)7-10-6-14-8-16-10/h1-6,8H,7H2
InChIKeyWHJLETFEQLVWFG-UHFFFAOYSA-N
XLogP3.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.74
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-thiazol-5-ylmethyl)indole-7-carboxylic acid
CID 112641095
7-chloro-1-[(2,6-difluorophenyl)methyl]indole
CID 103475121
7-chloro-1-[(2,6-dimethylphenyl)methyl]indole
CID 103475380
5-[(5-bromoindol-1-yl)methyl]-1,3-thiazole
CID 116619558
7-chloro-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole
CID 103475099
5-[(7-chloroindol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 103475272
7-chloro-1-[(2,4,6-trimethylphenyl)methyl]indole
CID 103475068
1-[(2-bromo-4-fluorophenyl)methyl]-7-chloroindole
CID 103474913
7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole
CID 103475124
1-(1,3-thiazol-5-ylmethyl)indole-5-carbonitrile
CID 107920256
1-[(3-chloro-4-pyridinyl)methyl]-7-ethylindole
CID 116618712
potassium (7-chloroindol-1-yl)methyl-trifluoroboranuide
CID 103474693

Frequently Asked Questions

What is the IUPAC name of 5-[(7-chloroindol-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 5-[(7-chloroindol-1-yl)methyl]-1,3-thiazole (CID 103475549) is 5-[(7-chloroindol-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-[(7-chloroindol-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 5-[(7-chloroindol-1-yl)methyl]-1,3-thiazole is Clc1cccc2ccn(Cc3cncs3)c12.
What is the InChIKey of 5-[(7-chloroindol-1-yl)methyl]-1,3-thiazole?
The InChIKey is WHJLETFEQLVWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2S/c13-11-3-1-2-9-4-5-15(12(9)11)7-10-6-14-8-16-10/h1-6,8H,7H2.
What are the key properties of 5-[(7-chloroindol-1-yl)methyl]-1,3-thiazole?
5-[(7-chloroindol-1-yl)methyl]-1,3-thiazole has a molecular weight of 248.74 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-chloroindol-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 103475549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).